2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-7-phenylimidazo[4,5-c]quinolin-4-one;hydrochloride

C29H29Cl2N5O — CID 56851483

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-7-phenylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCl.Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C29H28ClN5O.ClH/c1-33-25-16-20(19-8-3-2-4-9-19)13-14-23(25)26-27(28(33)36)35(17-21-10-5-6-12-24(21)30)29(32-26)34-15-7-11-22(31)18-34;/h2-6,8-10,12-14,16,22H,7,11,15,17-18,31H2,1H3;1H/t22-;/m1./s1
InChIKeyCLVZGUNVBQKTAT-VZYDHVRKSA-N
MW534.49 g/mol
LogP5.61
Rot. Bonds4

About 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-7-phenylimidazo[4,5-c]quinolin-4-one;hydrochloride

2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-7-phenylimidazo[4,5-c]quinolin-4-one;hydrochloride (PubChem CID 56851483) has the molecular formula C29H29Cl2N5O and a molecular weight of 534.49 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-7-phenylimidazo[4,5-c]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-7-phenylimidazo[4,5-c]quinolin-4-one;hydrochloride
PubChem CID56851483
Molecular FormulaC29H29Cl2N5O
Molecular Weight534.49 g/mol
Exact Mass533.17
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-7-phenylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCl.Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C29H28ClN5O.ClH/c1-33-25-16-20(19-8-3-2-4-9-19)13-14-23(25)26-27(28(33)36)35(17-21-10-5-6-12-24(21)30)29(32-26)34-15-7-11-22(31)18-34;/h2-6,8-10,12-14,16,22H,7,11,15,17-18,31H2,1H3;1H/t22-;/m1./s1
InChIKeyCLVZGUNVBQKTAT-VZYDHVRKSA-N
XLogP5.61
TPSA69.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.49
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one
CID 56589615
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-7-carboxylic acid;hydrochloride
CID 71461809
N-[4-(1,2,3,4-Tetrahydroacridin-9-ylamino)butyl]-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxamide
CID 24825767
N-[7-(1,2,3,4-Tetrahydroacridin-9-ylamino)heptyl]-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxamide
CID 25168166
2-(2-Chlorophenyl)-7-propyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one
CID 51000500
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5,8-dimethylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 56851485
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride
CID 71449267
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-9-carboxylic acid;hydrochloride
CID 71449269
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(hydroxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one
CID 71449276
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-N,N,5-trimethyl-4-oxoimidazo[4,5-c]quinoline-8-carboxamide;hydrochloride
CID 71451065
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-ethylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 71451070
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-(methoxymethyl)-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 71451072

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-7-phenylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-7-phenylimidazo[4,5-c]quinolin-4-one;hydrochloride (CID 56851483) is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-7-phenylimidazo[4,5-c]quinolin-4-one;hydrochloride.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-7-phenylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-7-phenylimidazo[4,5-c]quinolin-4-one;hydrochloride is Cl.Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-7-phenylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The InChIKey is CLVZGUNVBQKTAT-VZYDHVRKSA-N. The full InChI is InChI=1S/C29H28ClN5O.ClH/c1-33-25-16-20(19-8-3-2-4-9-19)13-14-23(25)26-27(28(33)36)35(17-21-10-5-6-12-24(21)30)29(32-26)34-15-7-11-22(31)18-34;/h2-6,8-10,12-14,16,22H,7,11,15,17-18,31H2,1H3;1H/t22-;/m1./s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-7-phenylimidazo[4,5-c]quinolin-4-one;hydrochloride?
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-7-phenylimidazo[4,5-c]quinolin-4-one;hydrochloride has a molecular weight of 534.49 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-7-phenylimidazo[4,5-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 56851483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).